CID 6446867

Piperidine, 4,4-dihydroxy-3-methyl-1-(3,4,5-trimethoxycinnamoyl)-

Structural Information

Molecular Formula
C18H25NO6
SMILES
CC1CN(CCC1(O)O)C(=O)/C=C/C2=CC(=C(C(=C2)OC)OC)OC
InChI
InChI=1S/C18H25NO6/c1-12-11-19(8-7-18(12,21)22)16(20)6-5-13-9-14(23-2)17(25-4)15(10-13)24-3/h5-6,9-10,12,21-22H,7-8,11H2,1-4H3/b6-5+
InChIKey
NAWPGPOUPJRPDU-AATRIKPKSA-N
Compound name
(E)-1-(4,4-dihydroxy-3-methylpiperidin-1-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.16818 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.175456 180.8
[M+Na]+ 374.157398 187.0
[M-H]- 350.160904 183.4
[M+NH4]+ 369.202003 193.4
[M+K]+ 390.131338 184.7
[M+H-H2O]+ 334.165440 173.6
[M+HCOO]- 396.166381 195.7
[M+CH3COO]- 410.182031 209.2
[M+Na-2H]- 372.142846 180.2
[M]+ 351.16763142 182.8
[M]- 351.16872858 182.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.